# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26920703
_cell_length_b   13.27500210
_cell_length_c   58.17530174
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H96
_cell_volume   1752.45697149
_cell_formula_units_Z   48
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  H  H1  1  1.019534  0.716481  0.262093  1
  H  H2  1  1.019534  0.972668  0.220491  1
  H  H3  1  1.019534  0.460224  0.303328  1
  H  H4  1  0.519534  0.684249  0.227319  1
  H  H5  1  0.519534  0.171413  0.309509  1
  H  H6  1  0.519534  0.427552  0.268453  1
  H  H7  1  1.019534  0.546842  0.208713  1
  H  H8  1  1.019534  1.035943  0.290660  1
  H  H9  1  1.019534  0.291754  0.249609  1
  H  H10  1  0.519534  0.747504  0.296988  1
  H  H11  1  0.519534  1.003315  0.255619  1
  H  H12  1  0.519534  0.259685  0.214530  1
  H  H13  1  0.519534  0.588353  0.282707  1
  H  H14  1  0.519534  0.844282  0.241413  1
  H  H15  1  0.519534  1.101649  0.199834  1
  H  H16  1  1.019534  0.555866  0.247831  1
  H  H17  1  1.019534  0.814066  0.205876  1
  H  H18  1  1.019534  0.299429  0.288941  1
  H  H19  1  0.519534  0.419713  0.229421  1
  H  H20  1  0.519534  0.673122  0.187968  1
  H  H21  1  0.519534  0.163884  0.270174  1
  H  H22  1  1.019534  0.387697  0.193701  1
  H  H23  1  1.019534  0.875565  0.276302  1
  H  H24  1  1.019534  1.131569  0.235429  1
  H  H25  1  1.019534  0.947979  0.385656  1
  H  H26  1  1.019534  0.204055  0.344465  1
  H  H27  1  1.019534  0.691857  0.426873  1
  H  H28  1  0.519534  0.915447  0.350683  1
  H  H29  1  0.519534  0.403183  0.433117  1
  H  H30  1  0.519534  0.659320  0.391913  1
  H  H31  1  1.019534  0.779976  0.331951  1
  H  H32  1  1.019534  0.267648  0.414361  1
  H  H33  1  1.019534  0.523781  0.373173  1
  H  H34  1  0.519534  0.978983  0.420596  1
  H  H35  1  0.519534  0.235079  0.379399  1
  H  H36  1  0.519534  0.491234  0.338228  1
  H  H37  1  0.519534  0.819922  0.406265  1
  H  H38  1  0.519534  1.076017  0.365049  1
  H  H39  1  0.519534  0.332107  0.323883  1
  H  H40  1  1.019534  0.787395  0.371302  1
  H  H41  1  1.019534  1.043437  0.330068  1
  H  H42  1  1.019534  0.531244  0.412518  1
  H  H43  1  0.519534  0.651877  0.352568  1
  H  H44  1  0.519534  0.908024  0.311309  1
  H  H45  1  0.519534  0.395704  0.393766  1
  H  H46  1  1.019534  0.619366  0.317618  1
  H  H47  1  1.019534  1.107033  0.399993  1
  H  H48  1  1.019534  0.363138  0.358810  1
  H  H49  1  1.019534  0.179641  0.509265  1
  H  H50  1  1.019534  0.435746  0.468082  1
  H  H51  1  1.019534  0.923413  0.550457  1
  H  H52  1  0.519534  1.147075  0.474308  1
  H  H53  1  0.519534  0.634755  0.556766  1
  H  H54  1  0.519534  0.890901  0.515507  1
  H  H55  1  1.019534  1.011534  0.455557  1
  H  H56  1  1.019534  0.499341  0.538006  1
  H  H57  1  1.019534  0.755383  0.496773  1
  H  H58  1  0.519534  0.210671  0.544191  1
  H  H59  1  0.519534  0.466761  0.503026  1
  H  H60  1  0.519534  0.722856  0.461809  1
  H  H61  1  0.519534  1.051544  0.529847  1
  H  H62  1  0.519534  0.307700  0.488675  1
  H  H63  1  0.519534  0.563795  0.447479  1
  H  H64  1  1.019534  1.018997  0.494902  1
  H  H65  1  1.019534  0.275131  0.453713  1
  H  H66  1  1.019534  0.762803  0.536124  1
  H  H67  1  0.519534  0.883459  0.476162  1
  H  H68  1  0.519534  1.139595  0.434957  1
  H  H69  1  0.519534  0.627332  0.517391  1
  H  H70  1  1.019534  0.850922  0.441202  1
  H  H71  1  1.019534  0.338723  0.523610  1
  H  H72  1  1.019534  0.594799  0.482419  1
  H  H73  1  1.019534  0.411209  0.632646  1
  H  H74  1  1.019534  0.667213  0.591772  1
  H  H75  1  1.019534  1.155081  0.674374  1
  H  H76  1  0.519534  0.378894  0.597901  1
  H  H77  1  0.519534  0.869656  0.680107  1
  H  H78  1  0.519534  1.123065  0.638654  1
  H  H79  1  1.019534  0.243349  0.579134  1
  H  H80  1  1.019534  0.728712  0.662199  1
  H  H81  1  1.019534  0.986912  0.620244  1
  H  H82  1  0.519534  0.441129  0.668241  1
  H  H83  1  0.519534  0.698496  0.626662  1
  H  H84  1  0.519534  0.954426  0.585367  1
  H  H85  1  0.519534  0.283093  0.653545  1
  H  H86  1  0.519534  0.539463  0.612456  1
  H  H87  1  0.519534  0.795275  0.571087  1
  H  H88  1  1.019534  0.251025  0.618465  1
  H  H89  1  1.019534  0.506836  0.577414  1
  H  H90  1  1.019534  0.995936  0.659362  1
  H  H91  1  0.519534  1.115226  0.599621  1
  H  H92  1  0.519534  0.371366  0.558566  1
  H  H93  1  0.519534  0.858529  0.640756  1
  H  H94  1  1.019534  1.082554  0.564747  1
  H  H95  1  1.019534  0.570111  0.647584  1
  H  H96  1  1.019534  0.826297  0.605982  1
